1H-Indol-3-Yl Butyrate

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Properties Simple | Detailed

Formula C12H13NO2
IUPAC Name indol-1-ium-3-yl butanoate
Molecular Mass 203.237 g·mol−1
Heat of Formation -205.3 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 248.09 Å 3
Surface Area 240.22 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indol-3-yl butanoate
  • butanoic acid 1h-indol-3-yl ester
  • butanoic acid, 1h-indol-3-yl ester
  • butyric acid 1h-indol-3-yl ester
  • indol-3-yl butyrate
  • indoxyl butyrate
  • sr-01000631950-1
CAS Number(s)
  • 4346-15-0
InChIKey DPUSLOQBAPOARC-UHFFFAOYSA-N
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